Buscar
Mostrando ítems 1-10 de 3843
Protein conformational dynamics and phenotypic switching
(2021-01-01)
Intrinsically disordered proteins (IDPs) are proteins that lack rigid 3D structure but exist as conformational ensembles. Because of their structural plasticity, they can interact with multiple partners. The protein ...
On the analysis and comparison of conformer-specific essential dynamics upon ligand binding to a protein
(American Institute of Physics, 2015-06)
The native state of a protein consists of an equilibrium of conformational states on an energy landscape rather than existing as a single static state. The co-existence of conformers with different ligand-affinities in a ...
Tuning of conformational dynamics through evolution-based design modulates the catalytic adaptability of an extremophilic kinase
(American Chemical Society, 2020)
Conformational flexibility plays a critical role in enzyme function and is a key aspect in transitions from an open to a closed state induced by substrate binding and product release. Psychrophilic enzymes display a high ...
Optimization of Conformational Dynamics in an Epistatic Evolutionary Trajectory
(Oxford University Press, 2016-07)
The understanding of protein evolution depends on the ability to relate the impact of mutations on molecular traits to organismal fitness. Biological activity and robustness have been regarded as important features in ...
Polarization Effects on Peptide Conformations at Water]Membrane Interface by Molecular Dynamics Simulation
(Journal of Computational Chemistry, 1999)
Surface Effects on the Dynamic Behavior of Vortices in Type II Superconducting Strips with Periodic and Conformal Pinning Arrays
(2018-07-01)
Using molecular dynamics techniques, we simulate the vortex behavior in a type II superconducting strip in the presence of triangular and two types of conformal pinning arrays, one with a pinning gradient perpendicular to ...
Dynamic coordination among heterogeneous agents
(2015-03-16)
We study a dynamic model of coordination with timing frictions and payoff heterogeneity. There is a unique equilibrium, characterized by thresholds that determine the choices of each type of agent. We characterize equilibrium ...
Conformation analysis of a surface loop that controls active site access in the GH11 xylanase A from Bacillus subtilis
(SPRINGERNEW YORK, 2012)
Xylanases (EC 3.2.1.8 endo-1,4-glycosyl hydrolase) catalyze the hydrolysis of xylan, an abundant hemicellulose of plant cell walls. Access to the catalytic site of GH11 xylanases is regulated by movement of a short ...
Conformational dynamics in TRPV1 channels reported by an encoded coumarin amino acid
(2017)
TRPV1 channels support the detection of noxious and nociceptive input. Currently available functional and structural data suggest that TRPV1 channels have two gates within their permeation pathway: one formed by a ...